(2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(1H-indol-3-ylmethyl)-4-{[5-(morpholinomethyl)-2H-1,2,3-triazol-4-yl]methyl}piperazine | 393101-98-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(1H-indol-3-ylmethyl)-4-{[5-(morpholinomethyl)-2H-1,2,3-triazol-4-yl]methyl}piperazine
• 英文别名: SLV-317 free base；[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[[5-(morpholin-4-ylmethyl)-2H-triazol-4-yl]methyl]piperazin-1-yl]methanone
• CAS: 393101-98-9
• 化学式: C₃₀H₃₁F₆N₇O₂
• 分子量: 635.612
• InChiKey: SXASYKWUZQHLET-HSZRJFAPSA-N

物化性质

• 沸点：
  724.9±60.0 °C(Predicted)
• 密度：
  1.432±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  45
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.4
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• N-triazolymethyl-piperazine compounds with neurokinin-receptor antagonist activity
  申请人：——

  公开号：US20020065276A1

  公开（公告）日：2002-05-30

  N-triazolylmethyl-piperazine compounds which exhibit neurokinin receptor antagonistic activity corresponding to the formula I: 1 wherein R 1 , R 2 and R 3 have the meanings given in the specification; pharmaceutical compositions containing these compounds; a process for preparing these compounds, and intermediate products of this process.

  N-三唑甲基-哌嗪化合物表现出与公式I对应的神经激肽受体拮抗活性： 1 其中 R 1 ，R 2 和R 3 具有规范中给定的含义；含有这些化合物的药物组合物；制备这些化合物的方法，以及该过程的中间产物。
• Neue N-Triazolylmethyl-Piperazinderivate als Neurokininrezeptor-Antagonisten
  申请人：Solvay Pharmaceuticals GmbH

  公开号：EP1176144B1

  公开（公告）日：2003-07-09
• PHARMACEUTICAL COMPOSITIONS COMPRISING N-TRIAZOLYMETHYL-PIPERAZINE COMPOUNDS AND METHODS OF USING SAME
  申请人：De Vries Henricus Michiel

  公开号：US20070082905A1

  公开（公告）日：2007-04-12

  The present invention relates to N-triazolylmethyl-piperazine compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compositions in treating and preventing diseases and disorders.
• Novel Method
  申请人：Ferrari Giulio

  公开号：US20140128395A1

  公开（公告）日：2014-05-08

  There is provided inter alia a compound which is an NK-1 receptor antagonist for use in the treatment or prevention of CNV. There is also provided a compound which is an NK-1 antagonist for use in the treatment of chemical burns of the eye particularly alkali burns of the eye. There is also provided a pharmaceutical composition for topical administration to the eye comprising an NK-1 antagonist and an antibiotic agent.
• TREATMENT OF CORNEAL NEOVASCULARIZATION
  申请人：IRBM SCIENCE PARK S.p.A.

  公开号：US20180021327A1

  公开（公告）日：2018-01-25

  There is provided inter alia a compound which is an NK-1 receptor antagonist for use in the treatment or prevention of CNV. There is also provided a compound which is an NK-1 antagonist for use in the treatment of chemical burns of the eye particularly alkali burns of the eye. There is also provided a pharmaceutical composition for topical administration to the eye comprising an NK-1 antagonist and an antibiotic agent.